3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]benzoic acid CAS Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid Traditional Name: 3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]benzoic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H17NO3/c1-10-6-12(7-11(2)15(10)18)9-17-14-5-3-4-13(8-14)16(19)20/h3-8,17-18H,9H2,1-2H3,(H,19,20)